SCHEMBL9447014

SCHEMBL9447014

CCCCS(=O)(=O)Nc1ccc(OCc2ccc3ccccc3n2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.44
GPBAR1 Q8TDU6 4/20 0.44
CYSLTR2 Q9NS75 3/20 0.44
AR P10275 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
GMNN O75496 1/20 0.39
ALOX5 P09917 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9447067 0.81 AR (0.64) CYSLTR1GPBAR1CYSLTR2ARALOX5
SCHEMBL9447005 0.81 CYSLTR1 (0.45) CYSLTR1GPBAR1CYSLTR2ARALDH1A1
SCHEMBL9447118 0.81 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALDH1A1HPGD
SCHEMBL9446978 0.79 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ARALDH1A1
SCHEMBL9821112 0.76 GPBAR1 (0.51) CYSLTR1GPBAR1CYSLTR2ALDH1A1HPGD
SCHEMBL9800659 0.73 AR (0.56) CYSLTR1GPBAR1CYSLTR2ARHPGD
SCHEMBL9447109 0.73 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALDH1A1KDM4E
SCHEMBL10663836 0.72 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9447007 0.72 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2ARALOX5
SCHEMBL9447225 0.71 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2ALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed